SCHEMBL14630636

SCHEMBL14630636

COC(=O)C1CCC(=O)C(C(=O)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.37
BRD4 O60885 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1651765 0.88 TLR4 (0.40) TLR4BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL1651768 0.85 TLR4 (0.38) TLR4BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL14632092 0.79 AKR1C3 (0.38) TLR4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21729823 0.76 BRD4 (0.39) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3578884 0.76 BRD4 (0.39) TLR4BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL791422 0.75 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL989622 0.74
SCHEMBL3628762 0.74
SCHEMBL24906947 0.73 CHRNB2 (0.52) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13738413 0.73 CHRNB2 (0.52) BRD4CHRNB2CHRNA4CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948431-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-03-13 EP disclosed
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9446130-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-20 US disclosed
US-20150353565-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
WO-2014116504-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113942-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150353565-A1 BTK INHIBITORS BTK, SYK, LYN TLR4 1040/4885BRD4 449/4885CHRNB2 4748/4885
US-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 TLR4 1039/4885BRD4 277/4885CHRNB2 4796/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 TLR4 1159/4885BRD4 289/4885CHRNB2 4773/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.